1-(2,6-dichlorophenyl)-2-methyldodecan-1-one

C19H28Cl2O — CID 67779214

IUPAC1-(2,6-dichlorophenyl)-2-methyldodecan-1-one
SMILESCCCCCCCCCCC(C)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H28Cl2O/c1-3-4-5-6-7-8-9-10-12-15(2)19(22)18-16(20)13-11-14-17(18)21/h11,13-15H,3-10,12H2,1-2H3
InChIKeyJOYYCWKSJQQQJM-UHFFFAOYSA-N
MW343.34 g/mol
LogP7.34
Rot. Bonds11

About 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one

1-(2,6-dichlorophenyl)-2-methyldodecan-1-one (PubChem CID 67779214) has the molecular formula C19H28Cl2O and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-methyldodecan-1-one
PubChem CID67779214
Molecular FormulaC19H28Cl2O
Molecular Weight343.34 g/mol
Exact Mass342.15
IUPAC Name1-(2,6-dichlorophenyl)-2-methyldodecan-1-one
SMILESCCCCCCCCCCC(C)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H28Cl2O/c1-3-4-5-6-7-8-9-10-12-15(2)19(22)18-16(20)13-11-14-17(18)21/h11,13-15H,3-10,12H2,1-2H3
InChIKeyJOYYCWKSJQQQJM-UHFFFAOYSA-N
XLogP7.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.34
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
1-(2,6-dichlorophenyl)-2-methylpentane-1,4-dione
CID 64706690
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one
CID 174477057
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-(2-chloroanilino)nonanoic acid
CID 63524442
lithium;1-(2,6-dichlorophenyl)-2-phosphanylpentan-1-one;hydride
CID 174477056
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
dodecyl 3-(2,6-dichlorophenyl)-3-oxo-2-phenylpropanoate;oxophosphanium
CID 161031269
(2S)-2-methyloctadecanoyl chloride
CID 88703138
2-methyldecanoyl chloride
CID 19022279
1,1'-biphenyl;2-methyloctanoate
CID 22157313

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one (CID 67779214) is 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one is CCCCCCCCCCC(C)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one?
The InChIKey is JOYYCWKSJQQQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2O/c1-3-4-5-6-7-8-9-10-12-15(2)19(22)18-16(20)13-11-14-17(18)21/h11,13-15H,3-10,12H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one?
1-(2,6-dichlorophenyl)-2-methyldodecan-1-one has a molecular weight of 343.34 g/mol, XLogP of 7.34, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-methyldodecan-1-one is sourced from PubChem (CID 67779214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).